SCHEMBL2649460

SCHEMBL2649460

O=C(Nc1nc(CSc2ccccc2)c(S(=O)(=O)c2nnn[nH]2)s1)Nc1ccc(N2CCOCC2)cc1C(=O)C1CCCC1.O=C(Nc1nc(CSc2ccccc2)c(S(=O)(=O)c2nnn[nH]2)s1)Nc1ccncc1C(=O)C1CCCC1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
GHSR Q92847 3/20 0.31
TRPV1 Q8NER1 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
RAB9A P51151 1/20 0.31
BCL2 P10415 1/20 0.31
NTRK1 P04629 1/20 0.30
NTRK2 Q16620 1/20 0.30
NPC1 O15118 1/20 0.30
NAMPT P43490 1/20 0.30
CYP3A4 P08684 1/20 0.30
LRRK2 Q5S007 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30
BCL2L1 Q07817 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1342907 0.95 MAPT (0.34) IDH1ALDH1A1MAPTGHSRCHRNA4
SCHEMBL1342169 0.91 CCNE1 (0.31) MAPTMEN1KMT2A
SCHEMBL2649453 0.88 IDH1 (0.31) IDH1ALDH1A1MAPTRAB9A
SCHEMBL1341478 0.86 CNR1 (0.32) MAPTRAB9AMEN1KMT2A
SCHEMBL1342612 0.86 AXL (0.36) IDH1ALDH1A1MAPTGHSRCHRNA4
SCHEMBL1342641 0.85 GHSR (0.35) IDH1ALDH1A1MAPTGHSRCHRNA4
SCHEMBL1342690 0.85 CASR (0.39) ALDH1A1MAPTGHSRCHRNA4SLC6A3
SCHEMBL1340902 0.84 MAPT (0.34) IDH1ALDH1A1MAPTGHSRCHRNA4
SCHEMBL1342466 0.84 ALDH1A1 (0.33) ALDH1A1MAPTRAB9ANTRK1NTRK2
SCHEMBL1341180 0.84 GHSR (0.35) ALDH1A1MAPTGHSRCHRNA4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed